
 MLS000082037

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M  END

>  <Chemical Name>
MLS000082037

>  <PubChem CID>
2421595

>  <Formula>
C24H23N3O4

>  <Molecular Weight>
417.465000

>  <IUPAC Name>
[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)CN3C=NC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)CN3C=NC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H23N3O4/c1-16-12-20(17(2)27(16)18-8-10-19(30-3)11-9-18)23(28)14-31-24(29)13-26-15-25-21-6-4-5-7-22(21)26/h4-12,15H,13-14H2,1-3H3

>  <InChI Key>
DMMIKXQNMAPFBA-UHFFFAOYSA-N

